Basic information
- CAS
20675-25-6- Standard SMILES
CC(=O)Nc1ccc(OC(=O)CCC(=O)O)cc1- InChIKey
WBMMAKGUOXWWKZ-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- Acetaminophen hemisuccinate
- IUPAC
- 4-(4-acetamidophenoxy)-4-oxobutanoic acid
- English name
- 4-(4-acetamidophenoxy)-4-oxo-butanoic acid
- Molecular formula
- C12H13NO5
- Molecular weight
- 251.24
Names & synonyms
Acetaminophen hemisuccinate20675-25-6Paracetamol hemisuccinateDTXSID00174730RefChem:108871DTXCID20972214-(4-acetamidophenoxy)-4-oxobutanoic acid4-(4-ACETAMIDOPHENOXY)-4-OXO-BUTANOIC ACIDMono(4-(acetylamino)phenyl) butanedioateDB-315758Butanedioic acid, mono(4-(acetylamino)phenyl) esterButanedioic acid, 1-[4-(acetylamino)phenyl] ester
Database identifiers
- CAS
20675-25-6- PubChem CID
- 83947
- DTXSID
DTXSID00174730
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 146 °C · 146°C
- Boiling point
- 394.39 °C · 394.39°C (rough estimate)
- Density
- 1.2832 · 1.2832 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- Water Solubility
- 6.5 g/L · 6.5g/L(37 ºC)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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